SCHEMBL22060008

SCHEMBL22060008

Cc1cc(CNC(=O)C(C)C)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.59
ERCC1 P07992 2/20 0.59
ERCC4 Q92889 2/20 0.59
CARM1 Q86X55 3/20 0.45
PRMT6 Q96LA8 3/20 0.45
EPHX2 P34913 1/20 0.45
HDAC1 Q13547 1/20 0.44
PTGES O14684 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
SMO Q99835 1/20 0.42
RARB P10826 1/20 0.42
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
APEX1 P27695 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22059482 0.85 ERCC1 (0.59) NR1H4ERCC1ERCC4CARM1PRMT6
SCHEMBL22060011 0.84 NR1H4 (0.59) NR1H4ERCC1ERCC4PTGESAPEX1
SCHEMBL5357073 0.83 NR1H4 (0.63) NR1H4EPHX2HDAC1KMT2ARARB
SCHEMBL14782824 0.81 PTGES (0.59) NR1H4ERCC1ERCC4PTGESAPEX1
SCHEMBL29463256 0.81 PTGES (0.59) NR1H4ERCC1ERCC4PTGESAPEX1
SCHEMBL9931138 0.79 PTGES (0.61) NR1H4ERCC1ERCC4EPHX2HDAC1
SCHEMBL29030199 0.79 NR1H4 (0.58) NR1H4EPHX2KMT2ARARB
SCHEMBL4562855 0.79 KMT2A (0.66) NR1H4ERCC1ERCC4EPHX2HDAC1
SCHEMBL1067954 0.79 NR1H4 (0.59) NR1H4EPHX2KMT2ARARBAPEX1
SCHEMBL18251691 0.78 ERCC1 (0.77) ERCC1ERCC4CARM1PRMT6PTGES

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 NR1H4 1/4885ERCC1 2685/4885ERCC4 1558/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.